SCHEMBL7017635

SCHEMBL7017635

Nc1ccc(CCC(=O)N2CCC3OCC(=O)C32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
CTSK P43235 3/20 0.41
PPID Q08752 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
FKBP1A P62942 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.34
GRIN2B Q13224 1/20 0.33
PRCP P42785 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7019264 0.89 CTSS (0.41) CTSSCTSVCTSLCTSKL3MBTL3
SCHEMBL7016644 0.88 GFER (0.42) CTSSCTSVCTSLCTSK
SCHEMBL7017081 0.83 OPRK1 (0.41) CTSSCTSVCTSLCTSKGRIN2B
SCHEMBL7021201 0.81 CTSS (0.41) CTSSCTSVCTSLCTSKSIGMAR1
SCHEMBL7017633 0.80 CTSS (0.40) CTSSCTSVCTSLCTSKPPID
SCHEMBL7011896 0.77 CTSS (0.40) CTSSCTSVCTSLCTSK
SCHEMBL7016869 0.76 CTSS (0.43) CTSSCTSVCTSLCTSK
SCHEMBL7017106 0.71 CTSS (0.42) CTSSCTSVCTSLCTSKSIGMAR1
SCHEMBL5258636 0.70 CTSK (0.64) CTSSCTSVCTSLCTSK
SCHEMBL4210699 0.70 CTSS (0.49) CTSSCTSVCTSLCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed